#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n HIS 3 N 0.00 -4.59 0.00 0.00 -0.00 -1.26 -5.02 115.22 104.35 3i8f n HIS 3 Ca 0.00 2.49 0.00 0.00 -0.00 0.00 0.00 57.72 60.21 3i8f n HIS 3 Cb 0.00 -3.46 0.00 0.00 -0.00 0.00 0.00 29.99 26.53 3i8f n HIS 3 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 3i8f n LYS 4 N 0.95 0.00 -1.00 -0.41 4.81 -1.26 -5.12 118.16 116.14 3i8f n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i8f n LYS 4 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i8f n LYS 4 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3i8f n LYS 5 N 0.00 -0.20 -4.47 1.64 2.85 -1.26 -4.98 118.16 111.73 3i8f n LYS 5 Ca 0.00 0.19 -0.23 0.00 -1.05 0.00 0.00 58.31 57.22 3i8f n LYS 5 Cb 0.00 -0.26 -0.09 0.00 -0.65 0.00 0.00 35.03 34.03 3i8f n LYS 5 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3i8f s GLY 6 N 0.00 2.29 0.00 2.58 0.00 -1.26 -5.15 107.32 105.79 3i8f s GLY 6 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.07 3i8f s GLY 6 CO 0.00 -1.81 0.00 1.47 0.00 0.00 0.00 173.10 172.76 3i8f n LEU 7 N -0.78 0.00 0.00 0.66 -0.00 -1.26 -5.05 117.00 110.58 3i8f n LEU 7 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 3i8f n LEU 7 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 3i8f n LEU 7 CO 0.39 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.39 3i8f n GLY 8 N 0.00 4.19 0.32 1.47 0.00 -1.26 -5.17 105.19 104.74 3i8f n GLY 8 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3i8f n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i8f n SER 9 N 0.00 -2.59 -3.67 1.61 2.88 -1.26 -5.09 113.62 105.50 3i8f n SER 9 Ca 0.00 0.25 -0.10 0.00 -1.33 0.00 0.00 58.87 57.70 3i8f n SER 9 Cb 0.00 -0.18 -0.10 0.00 -0.75 0.00 0.00 64.21 63.18 3i8f n SER 9 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i8f s THR 10 N -2.24 -0.38 0.27 2.46 -4.23 -1.26 -5.04 115.64 105.22 3i8f s THR 10 Ca 0.00 0.14 0.37 0.00 -1.18 0.00 0.00 61.69 61.02 3i8f s THR 10 Cb 0.00 -0.63 0.40 0.00 1.34 0.00 0.00 72.50 73.61 3i8f s THR 10 CO 0.00 0.06 2.11 0.08 -0.54 0.00 0.00 174.62 176.33 3i8f h ARG 11 N 7.76 0.00 -5.88 3.99 0.11 -2.08 -3.40 114.38 114.87 3i8f h ARG 11 Ca -0.24 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.23 3i8f h ARG 11 Cb 1.14 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.10 3i8f h ARG 11 CO 0.19 0.00 0.57 -0.80 0.10 0.00 0.00 179.97 180.03 3i8f s ASN 12 N -5.34 6.35 0.00 0.08 0.01 -1.26 -4.78 114.94 110.00 3i8f s ASN 12 Ca -0.01 -0.33 0.02 0.00 -0.71 0.00 0.00 52.86 51.83 3i8f s ASN 12 Cb 0.10 -2.44 0.04 0.00 0.41 0.00 0.00 41.25 39.36 3i8f s ASN 12 CO 0.47 -1.23 0.92 0.61 -1.51 0.00 0.00 177.10 176.36 3i8f n GLY 13 N 5.11 0.64 0.00 0.66 0.00 -1.26 -5.15 105.19 105.19 3i8f n GLY 13 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i8f n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 14 N 0.05 2.16 0.00 1.61 1.74 -1.26 -5.15 116.66 115.80 3i8f n ARG 14 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3i8f n ARG 14 Cb 0.70 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.14 3i8f n ARG 14 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i8f n ASP 15 N -0.75 0.00 -4.72 0.55 2.03 -1.26 -5.15 116.55 107.25 3i8f n ASP 15 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 3i8f n ASP 15 Cb 0.00 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.52 3i8f n ASP 15 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3i8f s SER 16 N 0.00 3.78 0.75 1.67 1.04 -1.26 -4.99 113.70 114.69 3i8f s SER 16 Ca 0.00 1.79 -0.11 0.00 0.48 0.00 0.00 55.95 58.11 3i8f s SER 16 Cb 0.00 -2.43 0.04 0.00 0.10 0.00 0.00 66.02 63.73 3i8f s SER 16 CO 0.00 -2.49 1.08 0.00 0.98 0.00 0.00 173.24 172.81 3i8f s GLN 17 N -4.84 2.44 0.44 4.02 -2.07 -1.26 -4.99 119.66 113.40 3i8f s GLN 17 Ca 0.63 0.82 -0.25 0.00 -1.82 0.00 0.00 55.36 54.74 3i8f s GLN 17 Cb -0.19 -1.94 -0.08 0.00 -1.09 0.00 0.00 33.01 29.70 3i8f s GLN 17 CO 0.57 -1.41 1.41 0.00 -1.32 0.00 0.00 175.29 174.53 3i8f s ALA 18 N -3.08 3.25 -2.13 2.60 0.00 -1.26 -4.94 121.76 116.20 3i8f s ALA 18 Ca 0.60 1.43 0.18 0.00 0.00 0.00 0.00 51.96 54.16 3i8f s ALA 18 Cb -0.15 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 19.52 3i8f s ALA 18 CO 0.55 -1.13 1.04 1.63 0.00 0.00 0.00 175.76 177.85 3i8f n LYS 19 N -0.12 1.53 -3.62 0.00 4.76 -1.26 -5.00 118.16 114.45 3i8f n LYS 19 Ca 0.05 -1.44 -0.24 0.00 -2.87 0.00 0.00 58.31 53.81 3i8f n LYS 19 Cb 0.42 -1.34 0.04 0.00 -1.84 0.00 0.00 35.03 32.31 3i8f n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i8f n ARG 20 N 0.81 -3.11 -3.57 1.97 5.12 -1.26 -4.94 116.66 111.68 3i8f n ARG 20 Ca 0.10 0.60 -0.37 0.00 -1.93 0.00 0.00 57.85 56.25 3i8f n ARG 20 Cb 0.43 -4.92 -0.07 0.00 -1.16 0.00 0.00 32.46 26.75 3i8f n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i8f s LEU 21 N -6.38 4.32 0.00 0.55 1.43 -1.26 -4.94 118.68 112.40 3i8f s LEU 21 Ca 0.25 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3i8f s LEU 21 Cb -0.07 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3i8f s LEU 21 CO 0.82 0.19 0.00 0.61 0.23 0.00 0.00 176.35 178.20 3i8f n GLY 22 N 2.81 -0.11 3.70 -3.19 0.00 -0.88 -5.03 105.19 102.50 3i8f n GLY 22 Ca -0.13 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 3i8f n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8f s VAL 23 N -1.63 2.68 -0.88 1.61 1.01 -1.26 -2.77 120.40 119.16 3i8f s VAL 23 Ca 0.00 0.35 0.21 0.00 0.00 0.00 0.00 61.98 62.54 3i8f s VAL 23 Cb 0.00 -3.22 -0.22 0.00 0.00 0.00 0.00 36.38 32.94 3i8f s VAL 23 CO 0.00 0.01 0.90 0.29 0.00 0.00 0.00 175.10 176.30 3i8f n LYS 24 N 4.81 0.08 -3.79 2.72 4.76 0.98 -4.91 118.16 122.81 3i8f n LYS 24 Ca 0.15 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 3i8f n LYS 24 Cb 0.39 -1.51 -0.13 0.00 -1.84 0.00 0.00 35.03 31.94 3i8f n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3i8f s ARG 25 N -3.06 0.16 0.34 1.97 3.00 -1.19 -4.96 118.95 115.20 3i8f s ARG 25 Ca 0.06 0.30 0.08 0.00 0.00 0.00 0.00 55.73 56.17 3i8f s ARG 25 Cb 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 34.95 35.06 3i8f s ARG 25 CO 0.86 -0.08 0.23 0.71 0.00 0.00 0.00 175.30 177.02 3i8f s TYR 26 N 0.53 2.81 0.39 -0.53 1.51 -1.26 -4.93 117.35 115.86 3i8f s TYR 26 Ca -0.04 -0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 55.45 3i8f s TYR 26 Cb -0.05 -1.75 -0.15 0.00 -0.11 0.00 0.00 41.96 39.89 3i8f s TYR 26 CO -0.03 0.23 0.17 -1.91 -1.11 0.00 0.00 175.55 172.91 3i8f n GLU 27 N -1.28 0.06 -1.02 -0.62 2.13 -1.25 -1.85 120.64 116.81 3i8f n GLU 27 Ca -0.02 0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.82 3i8f n GLU 27 Cb 0.61 -1.06 -0.00 0.00 0.27 0.00 0.00 31.44 31.26 3i8f n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i8f n GLY 28 N 2.25 0.23 3.68 8.31 0.00 0.38 -4.92 105.19 115.12 3i8f n GLY 28 Ca 0.12 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3i8f n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8f s GLN 29 N -1.33 4.18 0.24 1.61 -0.21 -0.77 -4.86 119.66 118.52 3i8f s GLN 29 Ca 0.00 0.16 -0.30 0.00 0.02 0.00 0.00 55.36 55.24 3i8f s GLN 29 Cb 0.00 -3.52 -0.10 0.00 1.00 0.00 0.00 33.01 30.39 3i8f s GLN 29 CO 0.00 0.02 1.45 0.08 -2.12 0.00 0.00 175.29 174.72 3i8f s VAL 30 N 1.14 2.65 0.33 1.09 1.01 -1.26 -1.77 120.40 123.59 3i8f s VAL 30 Ca 0.18 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.76 3i8f s VAL 30 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3i8f s VAL 30 CO 0.07 0.08 0.20 1.33 0.00 0.00 0.00 175.10 176.78 3i8f n VAL 31 N 2.46 0.00 -4.49 2.92 0.24 -0.37 -4.95 118.33 114.14 3i8f n VAL 31 Ca 0.07 -2.15 -0.24 0.00 -2.04 0.00 0.00 64.34 59.99 3i8f n VAL 31 Cb 0.40 0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 33.62 3i8f n VAL 31 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i8f s ARG 32 N -3.29 1.80 -0.49 7.34 0.52 -1.26 -3.32 118.95 120.25 3i8f s ARG 32 Ca 0.28 -2.05 -0.28 0.00 -0.52 0.00 0.00 55.73 53.16 3i8f s ARG 32 Cb 0.01 -0.78 0.01 0.00 0.52 0.00 0.00 34.95 34.71 3i8f s ARG 32 CO 0.20 -0.33 1.48 0.00 0.02 0.00 0.00 175.30 176.67 3i8f s ALA 33 N -3.25 2.85 0.00 2.13 0.00 -1.26 -2.96 121.76 119.28 3i8f s ALA 33 Ca 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3i8f s ALA 33 Cb 0.06 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.13 3i8f s ALA 33 CO 0.14 -2.78 0.00 0.41 0.00 0.00 0.00 175.76 173.53 3i8f n GLY 34 N 5.24 1.36 3.58 0.00 0.00 -0.99 -4.96 105.19 109.42 3i8f n GLY 34 Ca 0.15 -0.11 -0.55 0.00 0.00 0.00 0.00 46.02 45.51 3i8f n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i8f n ASN 35 N 0.00 2.16 -4.61 1.61 3.02 -1.15 -4.67 115.26 111.62 3i8f n ASN 35 Ca 0.00 0.82 -0.30 0.00 -0.03 0.00 0.00 54.58 55.07 3i8f n ASN 35 Cb 0.00 -1.16 0.20 0.00 -0.61 0.00 0.00 39.78 38.21 3i8f n ASN 35 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3i8f s ILE 36 N 5.04 2.19 0.00 2.41 -0.00 -1.26 -2.40 121.20 127.17 3i8f s ILE 36 Ca 1.04 0.06 0.00 0.00 -0.00 0.00 0.00 60.65 61.75 3i8f s ILE 36 Cb -1.04 -2.19 0.00 0.00 -0.00 0.00 0.00 42.46 39.22 3i8f s ILE 36 CO 0.60 -0.08 0.00 0.18 -0.00 0.00 0.00 174.94 175.64 3i8f n LEU 37 N -4.45 0.00 -3.78 0.37 4.77 0.16 -4.63 117.00 109.45 3i8f n LEU 37 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 3i8f n LEU 37 Cb 0.54 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 3i8f n LEU 37 CO 0.54 0.00 -0.17 -0.69 -1.33 0.00 0.00 177.39 175.74 3i8f s VAL 38 N -1.11 -0.02 -0.19 4.08 1.01 -1.21 -0.02 120.40 122.94 3i8f s VAL 38 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 3i8f s VAL 38 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.11 3i8f s VAL 38 CO 0.00 0.03 -0.15 -0.13 0.00 0.00 0.00 175.10 174.85 3i8f s ARG 39 N 0.61 3.10 0.05 2.72 1.81 -1.12 -1.38 118.95 124.74 3i8f s ARG 39 Ca -0.04 -0.77 -0.11 0.00 -1.72 0.00 0.00 55.73 53.08 3i8f s ARG 39 Cb -0.06 -2.72 0.01 0.00 -0.45 0.00 0.00 34.95 31.73 3i8f s ARG 39 CO -0.03 -0.21 0.25 1.14 -0.68 0.00 0.00 175.30 175.76 3i8f s GLN 40 N 1.35 0.76 -0.95 3.54 -2.07 -1.26 -2.07 119.66 118.96 3i8f s GLN 40 Ca 0.05 -0.59 -0.01 0.00 -1.82 0.00 0.00 55.36 52.99 3i8f s GLN 40 Cb -0.14 0.32 0.30 0.00 -1.09 0.00 0.00 33.01 32.41 3i8f s GLN 40 CO -0.10 -0.23 1.34 0.54 -1.32 0.00 0.00 175.29 175.52 3i8f n ARG 41 N 0.58 4.12 -0.22 9.60 5.12 -1.26 -4.61 116.66 129.99 3i8f n ARG 41 Ca -0.18 -4.62 0.00 0.00 -1.93 0.00 0.00 57.85 51.12 3i8f n ARG 41 Cb 0.59 -2.44 0.00 0.00 -1.16 0.00 0.00 32.46 29.46 3i8f n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i8f n GLY 42 N 0.95 0.89 2.42 -0.13 0.00 -1.26 -4.91 105.19 103.14 3i8f n GLY 42 Ca 0.30 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 3i8f n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i8f n THR 43 N 9.00 3.18 0.00 2.61 5.66 -1.26 -4.68 114.28 128.79 3i8f n THR 43 Ca 0.00 -3.85 0.00 0.00 -3.05 0.00 0.00 64.05 57.15 3i8f n THR 43 Cb 0.00 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 67.59 3i8f n THR 43 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i8f n ARG 44 N -0.72 0.00 -3.70 1.09 1.74 -1.26 -4.10 116.66 109.71 3i8f n ARG 44 Ca 0.53 0.24 -0.11 0.00 -0.77 0.00 0.00 57.85 57.74 3i8f n ARG 44 Cb 0.63 -1.55 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 3i8f n ARG 44 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i8f s PHE 45 N -2.40 -0.58 -0.10 -1.55 0.40 -1.26 -4.60 117.98 107.89 3i8f s PHE 45 Ca 0.00 1.27 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 3i8f s PHE 45 Cb 0.00 0.25 -0.03 0.00 0.51 0.00 0.00 43.02 43.75 3i8f s PHE 45 CO 0.00 -0.32 -0.06 0.15 0.70 0.00 0.00 175.22 175.69 3i8f s LYS 46 N 1.18 3.10 0.21 0.44 1.02 -0.07 -4.99 119.74 120.62 3i8f s LYS 46 Ca -0.08 -0.54 -0.32 0.00 0.02 0.00 0.00 55.97 55.05 3i8f s LYS 46 Cb -0.07 -2.71 -0.13 0.00 -0.52 0.00 0.00 37.83 34.39 3i8f s LYS 46 CO -0.10 0.51 1.55 -0.35 -0.92 0.00 0.00 175.35 176.03 3i8f n PRO 47 N 2.71 2.27 0.00 -1.68 -0.04 -1.26 -2.86 135.00 134.14 3i8f n PRO 47 Ca -0.18 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 3i8f n PRO 47 Cb 0.53 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3i8f n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8f n GLY 48 N 2.91 5.16 3.60 0.55 0.00 -0.31 -4.86 105.19 112.25 3i8f n GLY 48 Ca 0.14 -1.66 -0.50 0.00 0.00 0.00 0.00 46.02 44.00 3i8f n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8f n LYS 49 N 0.00 1.62 -2.48 1.61 5.02 -1.26 -1.21 118.16 121.46 3i8f n LYS 49 Ca 0.00 0.54 -0.20 0.00 -2.02 0.00 0.00 58.31 56.63 3i8f n LYS 49 Cb 0.00 -2.56 -0.00 0.00 -0.02 0.00 0.00 35.03 32.45 3i8f n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3i8f n ASN 50 N 8.05 -5.73 -3.91 4.39 3.02 -1.26 -1.42 115.26 118.40 3i8f n ASN 50 Ca 0.30 -0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.51 3i8f n ASN 50 Cb 0.26 -4.72 -0.17 0.00 -0.61 0.00 0.00 39.78 34.54 3i8f n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i8f s VAL 51 N -3.02 1.13 0.32 2.41 1.01 -0.35 0.10 120.40 121.99 3i8f s VAL 51 Ca 0.05 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.59 3i8f s VAL 51 Cb -0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3i8f s VAL 51 CO 0.06 0.24 0.17 -0.83 0.00 0.00 0.00 175.10 174.74 3i8f s GLY 52 N 1.64 1.79 -0.02 4.51 0.00 -1.07 -3.70 107.32 110.48 3i8f s GLY 52 Ca 0.02 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 43.07 3i8f s GLY 52 CO -0.08 -1.67 -0.08 -3.16 0.00 0.00 0.00 173.10 168.11 3i8f s MET 53 N -3.86 0.76 0.41 2.90 0.23 -1.25 -1.73 119.30 116.76 3i8f s MET 53 Ca 0.37 -0.28 0.06 0.00 -1.03 0.00 0.00 55.69 54.81 3i8f s MET 53 Cb -0.05 -0.73 0.07 0.00 -1.53 0.00 0.00 34.83 32.59 3i8f s MET 53 CO 0.24 0.14 0.56 0.41 -2.03 0.00 0.00 175.02 174.33 3i8f n GLY 54 N 3.10 1.80 0.16 3.16 0.00 -0.80 -4.88 105.19 107.74 3i8f n GLY 54 Ca -0.16 -2.17 0.15 0.00 0.00 0.00 0.00 46.02 43.84 3i8f n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 55 N -1.91 -0.02 -2.08 1.61 1.74 -1.26 0.10 116.66 114.84 3i8f n ARG 55 Ca 0.11 0.52 -0.27 0.00 -0.77 0.00 0.00 57.85 57.44 3i8f n ARG 55 Cb 0.41 -0.99 0.02 0.00 -1.02 0.00 0.00 32.46 30.88 3i8f n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3i8f n ASP 56 N -3.64 5.34 0.00 0.55 3.85 -1.26 -4.92 116.55 116.46 3i8f n ASP 56 Ca 0.16 -3.75 0.00 0.00 -0.71 0.00 0.00 54.79 50.49 3i8f n ASP 56 Cb 0.58 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3i8f n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3i8f n PHE 57 N -0.65 0.00 -1.55 2.11 3.72 0.12 -4.36 117.46 116.85 3i8f n PHE 57 Ca 0.45 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.48 3i8f n PHE 57 Cb 0.79 -1.54 0.07 0.00 -0.94 0.00 0.00 39.48 37.86 3i8f n PHE 57 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3i8f n THR 58 N -1.57 3.66 -4.28 4.37 -1.04 -1.25 -4.58 114.28 109.60 3i8f n THR 58 Ca 0.00 -0.46 -0.22 0.00 -2.04 0.00 0.00 64.05 61.33 3i8f n THR 58 Cb 0.21 -1.18 -0.12 0.00 -1.82 0.00 0.00 70.33 67.42 3i8f n THR 58 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i8f s LEU 59 N -2.76 2.34 -0.23 -4.42 1.43 -0.48 -1.90 118.68 112.67 3i8f s LEU 59 Ca 0.77 -0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 52.86 3i8f s LEU 59 Cb -0.38 -0.78 0.10 0.00 0.03 0.00 0.00 46.19 45.15 3i8f s LEU 59 CO 0.47 -0.01 0.88 0.72 0.23 0.00 0.00 176.35 178.64 3i8f s PHE 60 N -1.51 -0.58 0.56 0.29 -0.12 -0.70 0.40 117.98 116.31 3i8f s PHE 60 Ca 0.08 1.32 -0.20 0.00 -0.05 0.00 0.00 56.93 58.07 3i8f s PHE 60 Cb -0.08 0.35 -0.06 0.00 -0.63 0.00 0.00 43.02 42.60 3i8f s PHE 60 CO 0.04 -0.34 1.11 0.00 -0.05 0.00 0.00 175.22 175.98 3i8f n ALA 61 N 1.96 0.67 0.72 1.99 0.00 -1.01 -2.59 120.51 122.25 3i8f n ALA 61 Ca -0.13 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.48 3i8f n ALA 61 Cb 0.56 -2.19 -0.12 0.00 0.00 0.00 0.00 19.45 17.70 3i8f n ALA 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8f n LEU 62 N -0.69 0.73 -3.92 0.00 4.77 0.11 -2.35 117.00 115.66 3i8f n LEU 62 Ca 0.12 -0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 55.60 3i8f n LEU 62 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 3i8f n LEU 62 CO 0.52 0.18 0.19 0.68 -1.33 0.00 0.00 177.39 177.63 3i8f s VAL 63 N -2.89 0.02 -0.32 4.08 -7.23 -1.26 -4.81 120.40 107.98 3i8f s VAL 63 Ca 0.04 -1.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 3i8f s VAL 63 Cb 0.14 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 35.11 3i8f s VAL 63 CO 0.78 -0.08 1.14 -1.81 -0.31 0.00 0.00 175.10 174.83 3i8f s ASP 64 N -2.97 6.85 0.00 4.85 1.11 -1.26 -4.21 116.67 121.04 3i8f s ASP 64 Ca 0.18 1.07 0.00 0.00 0.18 0.00 0.00 52.55 53.97 3i8f s ASP 64 Cb -0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.44 3i8f s ASP 64 CO 0.05 -0.95 0.00 0.61 1.18 0.00 0.00 175.17 176.05 3i8f n GLY 65 N 4.04 4.44 2.71 0.21 0.00 -1.21 -4.50 105.19 110.88 3i8f n GLY 65 Ca 0.13 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 3i8f n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8f s VAL 66 N 0.77 0.40 -0.61 1.61 1.01 -1.16 -1.24 120.40 121.18 3i8f s VAL 66 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 61.98 61.08 3i8f s VAL 66 Cb 0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 36.38 35.23 3i8f s VAL 66 CO 0.00 -0.23 2.26 0.52 0.00 0.00 0.00 175.10 177.65 3i8f n VAL 67 N 5.09 0.00 -4.64 2.92 0.31 -0.73 -3.12 118.33 118.16 3i8f n VAL 67 Ca -0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.91 3i8f n VAL 67 Cb 0.47 -0.50 -0.14 0.00 -0.91 0.00 0.00 33.84 32.76 3i8f n VAL 67 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3i8f s GLU 68 N 6.64 3.43 0.55 5.55 -1.05 -0.32 -0.47 118.70 133.04 3i8f s GLU 68 Ca 1.23 -0.65 0.05 0.00 -0.15 0.00 0.00 54.97 55.45 3i8f s GLU 68 Cb -1.45 -2.71 0.06 0.00 -0.44 0.00 0.00 34.13 29.60 3i8f s GLU 68 CO 0.62 0.18 0.77 -0.06 0.95 0.00 0.00 175.26 177.72 3i8f s PHE 69 N 0.45 2.15 -0.29 4.83 0.40 -1.26 0.28 117.98 124.53 3i8f s PHE 69 Ca -0.08 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.67 3i8f s PHE 69 Cb -0.15 -2.53 0.17 0.00 0.51 0.00 0.00 43.02 41.02 3i8f s PHE 69 CO 0.04 -1.00 1.15 -1.14 0.70 0.00 0.00 175.22 174.98 3i8f s GLN 70 N -4.69 0.23 -0.40 0.44 0.74 -1.04 -4.87 119.66 110.07 3i8f s GLN 70 Ca 0.60 0.36 -0.01 0.00 0.05 0.00 0.00 55.36 56.36 3i8f s GLN 70 Cb -0.08 0.07 0.11 0.00 1.10 0.00 0.00 33.01 34.21 3i8f s GLN 70 CO 0.38 -0.04 0.17 0.34 -0.55 0.00 0.00 175.29 175.59 3i8f s ASP 71 N 0.89 5.09 -0.06 6.67 2.15 -1.26 0.37 116.67 130.52 3i8f s ASP 71 Ca -0.05 -2.12 0.01 0.00 0.43 0.00 0.00 52.55 50.83 3i8f s ASP 71 Cb -0.04 -1.77 0.10 0.00 -0.30 0.00 0.00 42.92 40.92 3i8f s ASP 71 CO -0.12 -0.48 1.08 0.54 -0.17 0.00 0.00 175.17 176.02 3i8f n ARG 72 N 4.43 1.21 0.00 4.34 5.12 -1.16 -4.93 116.66 125.67 3i8f n ARG 72 Ca 0.00 -0.43 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 3i8f n ARG 72 Cb 0.41 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 3i8f n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i8f n GLY 73 N 0.25 0.51 0.32 -0.13 0.00 -1.26 -1.16 105.19 103.71 3i8f n GLY 73 Ca 0.08 0.65 -0.02 0.00 0.00 0.00 0.00 46.02 46.73 3i8f n GLY 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i8f h ARG 74 N 0.00 0.89 -0.05 1.61 2.43 -2.05 -2.77 114.38 114.44 3i8f h ARG 74 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3i8f h ARG 74 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3i8f h ARG 74 CO 0.00 0.73 0.00 1.28 -1.51 0.00 0.00 179.97 180.47 3i8f n LEU 75 N -4.31 0.45 0.00 3.80 4.77 -0.31 -5.01 117.00 116.38 3i8f n LEU 75 Ca 0.05 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3i8f n LEU 75 Cb 0.17 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3i8f n LEU 75 CO 0.39 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3i8f n GLY 76 N 0.87 -1.08 3.74 -0.72 0.00 -1.05 -4.91 105.19 102.05 3i8f n GLY 76 Ca 0.14 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3i8f n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8f s ARG 77 N -3.10 4.70 0.44 1.61 0.52 -1.26 -2.97 118.95 118.89 3i8f s ARG 77 Ca 0.00 1.61 0.04 0.00 -0.52 0.00 0.00 55.73 56.87 3i8f s ARG 77 Cb 0.00 -3.28 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 3i8f s ARG 77 CO 0.00 0.25 0.01 0.71 0.02 0.00 0.00 175.30 176.30 3i8f s TYR 78 N -0.61 2.21 0.01 -0.53 1.51 0.16 -0.90 117.35 119.19 3i8f s TYR 78 Ca 0.46 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3i8f s TYR 78 Cb -0.28 -1.66 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3i8f s TYR 78 CO 0.34 0.31 -0.03 0.08 -1.11 0.00 0.00 175.55 175.15 3i8f s VAL 79 N -2.83 0.18 0.20 0.71 1.01 -1.13 -2.49 120.40 116.05 3i8f s VAL 79 Ca 0.23 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3i8f s VAL 79 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 3i8f s VAL 79 CO 0.12 -0.07 0.18 1.41 0.00 0.00 0.00 175.10 176.74 3i8f n HIS 80 N 2.70 -0.51 -3.43 5.22 -0.00 0.14 -1.16 115.22 118.19 3i8f n HIS 80 Ca -0.15 -1.71 -0.14 0.00 -0.00 0.00 0.00 57.72 55.72 3i8f n HIS 80 Cb 0.58 0.19 -0.11 0.00 -0.00 0.00 0.00 29.99 30.65 3i8f n HIS 80 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3i8f s VAL 81 N -2.82 -0.45 -0.83 1.59 1.01 -0.51 -1.17 120.40 117.22 3i8f s VAL 81 Ca 0.24 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 3i8f s VAL 81 Cb 0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3i8f s VAL 81 CO 0.17 -0.18 1.98 -0.60 0.00 0.00 0.00 175.10 176.48 3i8f s ARG 82 N 2.42 2.47 0.53 2.72 6.06 -1.18 -4.68 118.95 127.29 3i8f s ARG 82 Ca 0.09 -0.03 0.30 0.00 -2.50 0.00 0.00 55.73 53.60 3i8f s ARG 82 Cb -0.16 -4.91 1.45 0.00 0.06 0.00 0.00 34.95 31.40 3i8f s ARG 82 CO -0.14 -3.36 1.90 -1.00 -2.50 0.00 0.00 175.30 170.19 3i8f h PRO 83 N 12.24 0.02 0.00 5.12 0.13 -1.93 -3.07 132.00 144.51 3i8f h PRO 83 Ca 0.02 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3i8f h PRO 83 Cb 1.04 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3i8f h PRO 83 CO 1.19 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 180.26 3i8f n LEU 84 N -4.29 0.00 0.00 1.56 4.32 -1.26 -4.68 117.00 112.65 3i8f n LEU 84 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 3i8f n LEU 84 Cb 0.92 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 3i8f n LEU 84 CO 0.38 0.00 0.04 0.00 -1.22 0.00 0.00 177.39 176.59